1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane

C12H24 — CID 123569316

IUPAC1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane
SMILESCC(C)CC(C)CC1C(C)C1C
InChIInChI=1S/C12H24/c1-8(2)6-9(3)7-12-10(4)11(12)5/h8-12H,6-7H2,1-5H3
InChIKeyGEDYSLUABYYYNI-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane

1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane (PubChem CID 123569316) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane
PubChem CID123569316
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane
SMILESCC(C)CC(C)CC1C(C)C1C
InChIInChI=1S/C12H24/c1-8(2)6-9(3)7-12-10(4)11(12)5/h8-12H,6-7H2,1-5H3
InChIKeyGEDYSLUABYYYNI-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine
CID 126556094
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2-(2,4-dimethylpentyl)oxirane
CID 14618591
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4,6-trimethylheptane
CID 144531255
(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
1,2-dimethyl-3-(2-propylpentyl)cyclopropane
CID 91005894
(2R,4S)-2,4,6-trimethylheptanal
CID 170849644

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane?
The IUPAC name of 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane (CID 123569316) is 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane?
The canonical SMILES for 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane is CC(C)CC(C)CC1C(C)C1C.
What is the InChIKey of 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane?
The InChIKey is GEDYSLUABYYYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8(2)6-9(3)7-12-10(4)11(12)5/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane?
1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane is sourced from PubChem (CID 123569316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).